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    Phytochemical profiling, in vitro biological properties and in silico studies on Caragana ambigua stocks (Fabaceae): A comprehensive approach
    (ELSEVIER SCIENCE BV, 2019) Khan, Saima; Nazir, Mamona; Raiz, Naheed; Saleem, Muhammad; Zengin, Gökhan; Fazal, Gazala; Saleem, Hammad; Mukhtar, Mahreen; Tousif, Muhammad Imran; Tareen, Rasool Baksh; Abdallah, Hassan Hadi; Mahomoodally, Fawzi Mohamed
    Plant from Caragana genus have interesting potential in folklore medicines and have been explored for various pharmacological activities. The aim of this study was to probe into the chemical and biological effects of different extracts of Caragana ambigua Stocks (Fabaceae). Total phenolic and total flavonoids contents were determined using standard spectrophotometric methods, whereas, the secondary metabolites composition was established by ultra-high performance liquid chromatography-mass spectrometry (UHPLC-MS) analysis. Antioxidant potential was estimated via 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid (ABTS) radical scavenging, ferric reducing antioxidant power (FRAP), cupric reducing antioxidant capacity (CUPRAC), phosphomolybdenum and metal chelating assays and the enzyme (cholinesterases, alpha-amylase, alpha-glucosidase and tyrosinase) inhibition potential were also assessed. Moreover, in silico docking studies were performed to highlight possible interactions between three major secondary metabolites and the tested enzymes. The ethyl acetate extract exhibited higher phenolic (85.87 +/- 2.96 mg GAE/g) and flavonoid (66.45 +/- 0.37 mg RE/g) contents, which, we propose, are responsible for its higher radical scavenging, reducing power, total antioxidant capacity and tyrosinase inhibition. The n-hexane extract showed stronger anti-cholinesterase and anti-diabetic property. Similarly, UHPLC-MS profiling of methanol and ethyl acetate extracts identified the presence of flavonoids, phenolics, alkaloids, and coumarin derivatives. Three of the dominant compounds (isobergaptene, jujubasaponin IV and phellodensin D), were docked against all enzymes and their affinity were compared. Among these compounds, phellodensin D showed highest affinity towards all the studied enzymes. It is therefore, concluded that extracts from C. ambigua showed potent antioxidant and enzyme inhibition potential with potent bioactive molecules which could open new industrial applications.
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    Valorization of the antioxidant, enzyme inhibition and phytochemical propensities of Berberis calliobotrys Bien. ex Koehne: A multifunctional approach to probe for bioactive natural products
    (ELSEVIER, 2019) Khan, Saima; Nazir, Mamona; Saleem, Hammad; Raiz, Naheed; Saleem, Muhammad; Anjum, Syed Muhammad Muneeb; Zengin, Gökhan; Mukhtar, Mahreen; Tousif, Muhammad Imran; Mahomoodally, Fawzi Mohamad; Ahemad, Nafees
    Chemical composition and pharmacological effects of different extracts of Berberis calliobotrys Bien. ex Koehne were studied. The chemical profile of the methanol, ethyl acetate, n-butanol and aqueous extracts were established by determining their total phenolic and flavonoid contents, besides ultra-high performance liquid chromatography mass spectrometry (UHPLC-MS) of methanol and ethyl acetate extract of Berberis calliobotrys. Antioxidant potential of the extracts was evaluated as inhibition of 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and 2, 2'-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid (ABTS) free radicals, by reducing power via ferric reducing antioxidant power (FRAP), by cupric reducing antioxidant capacity (CUPRAC), and by phosphomolybdenum and metal chelation assays. Enzyme inhibitory potential of the extracts was also tested against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), alpha-glucosidase, alpha-amylase and tyrosinase. The Bc-W (Berberis calliobotrys aqueous extract) and Bc-M (B. calliobotrys methanol extract) afforded highest phenolic contents with values of 94.34 and 77.70 mgGAE/g extract, respectively, while the Bc-E (Berberis calliobotrys ethyl acetate extract) contained highest flavonoid contents (11.11 mg RE/g extract). UHPLC-MS analysis of Bc-M and Bc-E showed the presence of known secondary metabolites of alkaloid, phenolic, flavonoid, and terpene classes. The Bc-W was the most active in the ABTS, CUPRAC, FRAP and phosphomolybdenum antioxidant assays, whereas for DPPH and metal chelation activities, Bc-M was found to be more potent. The Bc-E and Bc-B (Berberis calliobotrys n-butanol extract) were least active for antioxidant potential. All the extracts showed considerable cholinesterase inhibition, whereas, Bc-E was most potent inhibitor of alpha-amylase, alpha-glucosidase and tyrosinase. It is concluded that B. calliobotrys extracts contained variety of bioactive constituents; antioxidant and enzyme inhibitors thus can be considered as a potential candidate for relevant industrial applications.